the review of spectrums and problem statement.
Most of all experimental vibration spectrums it is known for gomologiyocheskogo of some n-alkanes [325, 330 - 363]. IK and KR spectrums of these molecules have been measured at different temperatures, in different modular conditions and on different devices.
It brought all in values of frequencies both casual, and a regular error, therefore according to a technique resulted above to translate a regular error in casual, settlement frequencies should be compared with all known eksperimentalnyyomi (sample randomization). Leaning on received by such comparison kolicheyostvennye measures, it is possible to make in the way specified above comparison most rasproyostranennyh computer programs GAUSSIN and GAMESS, kvantovohimicheskih modeyolej DFT and MP2, to estimate completeness of basis, from comparison of experimental and settlement frequencies to find the equation of regression and, a result to receive full angarmonicheskie spectrums with the least error.The carried out research has shown, that known literary data not pozyovoljajut to reduce a confidential interval to units of return centimetres that can be connected with procedure of selection of fundamental frequencies on settlement garmonicheyoskim. But it and not always is required; the oscillatory contribution to thermodynamic properties has a comprehensible error if the error does not exceed 25 sm-1.
4.5.1.2.
More on topic the review of spectrums and problem statement.:
- the inference under the review and research problem statement
- THE INFERENCE UNDER THE REVIEW AND RESEARCH PROBLEM STATEMENT
- THE INFERENCE UNDER THE REVIEW AND RESEARCH PROBLEM STATEMENT
- THE INFERENCE UNDER THE REVIEW OF THE LITERATURE AND RESEARCH PROBLEM STATEMENT
- 1.4 Basic conclusions under the literary review and research problem statement
- CHAPTER 1. The REVIEW of REFERENCES And RESEARCH PROBLEM STATEMENT
- 1. The PROBLEM And RESEARCH PROBLEM CONDITION (the LITERARY REVIEW)
- PROBLEM STATEMENT
- PROBLEM STATEMENT
- the Statement of problem
- problem Statement
- 1. The STATE-OF-THE-ART REVIEW. STATEMENT of RESEARCH PROBLEMS
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